5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid

C20H30N4O4 — CID 26745226

IUPAC5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C20H30N4O4/c1-20(2,10-18(26)27)9-17(25)24-11-15-14(21-12-22-15)8-16(24)19(28)23-13-6-4-3-5-7-13/h12-13,16H,3-11H2,1-2H3,(H,21,22)(H,23,28)(H,26,27)/t16-/m0/s1
InChIKeyFWUDXOXEMPSNNO-INIZCTEOSA-N
MW390.48 g/mol
LogP2.00
Rot. Bonds6

About 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid

5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 26745226) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID26745226
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C20H30N4O4/c1-20(2,10-18(26)27)9-17(25)24-11-15-14(21-12-22-15)8-16(24)19(28)23-13-6-4-3-5-7-13/h12-13,16H,3-11H2,1-2H3,(H,21,22)(H,23,28)(H,26,27)/t16-/m0/s1
InChIKeyFWUDXOXEMPSNNO-INIZCTEOSA-N
XLogP2.00
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid with MolForge

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Related Compounds

CID 3159376
CID 3159376
CID 49830866
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CID 25338854
CID 25338854
CID 25338911
CID 25338911
CID 166632536
CID 166632536
CID 25338857
CID 25338857
CID 25339005
CID 25339005
CID 26745208
CID 26745208
CID 26745212
CID 26745212
CID 26745224
CID 26745224
CID 45783849
CID 45783849
CID 72895829
CID 72895829

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid (CID 26745226) is 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NC1CCCCC1.
What is the InChIKey of 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is FWUDXOXEMPSNNO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-20(2,10-18(26)27)9-17(25)24-11-15-14(21-12-22-15)8-16(24)19(28)23-13-6-4-3-5-7-13/h12-13,16H,3-11H2,1-2H3,(H,21,22)(H,23,28)(H,26,27)/t16-/m0/s1.
What are the key properties of 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 390.48 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-6-(cyclohexylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 26745226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).